1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one

C13H16FNO2 — CID 131964046

IUPAC1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(OCC(C)(C)F)c2ccccc21
InChIInChI=1S/C13H16FNO2/c1-9-10-6-4-5-7-11(10)15(12(9)16)17-8-13(2,3)14/h4-7,9H,8H2,1-3H3
InChIKeyYIPFXTSHDUEJLF-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one

1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one (PubChem CID 131964046) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one
PubChem CID131964046
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(OCC(C)(C)F)c2ccccc21
InChIInChI=1S/C13H16FNO2/c1-9-10-6-4-5-7-11(10)15(12(9)16)17-8-13(2,3)14/h4-7,9H,8H2,1-3H3
InChIKeyYIPFXTSHDUEJLF-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one?
The IUPAC name of 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one (CID 131964046) is 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one.
What is the SMILES notation for 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one?
The canonical SMILES for 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one is CC1C(=O)N(OCC(C)(C)F)c2ccccc21.
What is the InChIKey of 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one?
The InChIKey is YIPFXTSHDUEJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-10-6-4-5-7-11(10)15(12(9)16)17-8-13(2,3)14/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one?
1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one has a molecular weight of 237.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one is sourced from PubChem (CID 131964046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).